Pleiades Publishing
Moscow University Chemistry Bulletin
,  том 75 ,  издание 2 ,  страницы 72-76

Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling

Тип публикации: Journal Article
Дата публикации: 2020-03-01
Pleiades Publishing
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SJR: 0.183
CiteScore: 1.1
Impact factor: 0.5
ISSN: 00271314, 19350260
General Chemistry
Краткое описание
The paper presents the results of the estimation of the KRASG12C ⋅ GDP ⋅ ARS-1620 complex dissociation constant. The ARS-1620 is a potential inhibitor of the cellular signal transduction of the KRAS enzyme with the oncogenic G12C mutation. The value of the dissociation constant estimated by molecular docking is 280 nM and 0.3 ± 0.1 nM within the molecular dynamics combined with the Hamiltonian replica exchange umbrella sampling approach.
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Kulakova A. M. et al. Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling // Moscow University Chemistry Bulletin. 2020. Vol. 75. No. 2. pp. 72-76.
ГОСТ со всеми авторами (до 50) Скопировать
Kulakova A. M., Zakharova T. M., Mulashkin F. D., Terekhova E. O., Khrenova M. G. Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling // Moscow University Chemistry Bulletin. 2020. Vol. 75. No. 2. pp. 72-76.
RIS |
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TY - JOUR
DO - 10.3103/S0027131420020054
UR - https://doi.org/10.3103/S0027131420020054
TI - Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling
T2 - Moscow University Chemistry Bulletin
AU - Kulakova, A M
AU - Zakharova, T M
AU - Mulashkin, F D
AU - Terekhova, E O
AU - Khrenova, M. G.
PY - 2020
DA - 2020/03/01
PB - Pleiades Publishing
SP - 72-76
IS - 2
VL - 75
SN - 0027-1314
SN - 1935-0260
ER -
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@article{2020_Kulakova,
author = {A M Kulakova and T M Zakharova and F D Mulashkin and E O Terekhova and M. G. Khrenova},
title = {Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling},
journal = {Moscow University Chemistry Bulletin},
year = {2020},
volume = {75},
publisher = {Pleiades Publishing},
month = {mar},
url = {https://doi.org/10.3103/S0027131420020054},
number = {2},
pages = {72--76},
doi = {10.3103/S0027131420020054}
}
MLA
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Kulakova, A. M., et al. “Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling.” Moscow University Chemistry Bulletin, vol. 75, no. 2, Mar. 2020, pp. 72-76. https://doi.org/10.3103/S0027131420020054.
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